(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-8-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-8-yl) tris(fluoranyl)methanesulfonate Openeye Name: (3-oxo-1,2,4,5-tetrahydro-2-benzazepin-8-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (3-oxo-1,2,4,5-tetrahydro-2-benzazepin-8-yl) ester IUPAC Name: (3-oxo-1,2,4,5-tetrahydro-2-benzazepin-8-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (3-keto-1,2,4,5-tetrahydro-2-benzazepin-8-yl) ester Formula: C11H10F3NO4S MolecularWeight: 309.26161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NCC2=C1C=CC(=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CC(=O)NCC2=C1C=CC(=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C11H10F3NO4S/c12-11(13,14)20(17,18)19-9-3-1-7-2-4-10(16)15-6-8(7)5-9/h1,3,5H,2,4,6H2,(H,15,16)